(2,4-dioxopyrimidin-1-yl) thiohypoiodite

C4H3IN2O2S — CID 23446998

IUPAC(2,4-dioxopyrimidin-1-yl) thiohypoiodite
SMILESO=c1ccn(SI)c(=O)[nH]1
InChIInChI=1S/C4H3IN2O2S/c5-10-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeyUZHLFQXRHZRYAP-UHFFFAOYSA-N
MW270.05 g/mol
LogP0.38
Rot. Bonds1

About (2,4-dioxopyrimidin-1-yl) thiohypoiodite

(2,4-dioxopyrimidin-1-yl) thiohypoiodite (PubChem CID 23446998) has the molecular formula C4H3IN2O2S and a molecular weight of 270.05 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl) thiohypoiodite
PubChem CID23446998
Molecular FormulaC4H3IN2O2S
Molecular Weight270.05 g/mol
Exact Mass269.90
IUPAC Name(2,4-dioxopyrimidin-1-yl) thiohypoiodite
SMILESO=c1ccn(SI)c(=O)[nH]1
InChIInChI=1S/C4H3IN2O2S/c5-10-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeyUZHLFQXRHZRYAP-UHFFFAOYSA-N
XLogP0.38
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-bromopyrimidine-2,4-dione
CID 18634533
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-pyrrol-1-ylpyrimidine-2,4-dione
CID 174941704
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
CID 170350288
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
1-hydrazinylpyrimidine-2,4-dione
CID 57419744
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;1-propylsulfanylpyrimidine-2,4-dione
CID 70976639
1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione
CID 142487376
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl) thiohypoiodite?
The IUPAC name of (2,4-dioxopyrimidin-1-yl) thiohypoiodite (CID 23446998) is (2,4-dioxopyrimidin-1-yl) thiohypoiodite.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl) thiohypoiodite?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl) thiohypoiodite is O=c1ccn(SI)c(=O)[nH]1.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl) thiohypoiodite?
The InChIKey is UZHLFQXRHZRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2O2S/c5-10-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9).
What are the key properties of (2,4-dioxopyrimidin-1-yl) thiohypoiodite?
(2,4-dioxopyrimidin-1-yl) thiohypoiodite has a molecular weight of 270.05 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl) thiohypoiodite is sourced from PubChem (CID 23446998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).